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Information card for entry 7031853
Preview
| Coordinates | 7031853.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H53 N2 O4 V |
|---|---|
| Calculated formula | C35 H53 N2 O4 V |
| SMILES | [V]123(=O)Oc4c(cc(cc4C[N]3(Cc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)CC(O2)C)C(C)(C)C)C(C)(C)C.N#CC |
| Title of publication | Vanadium complexes with multidentate amine bisphenols. |
| Authors of publication | Hänninen, M M; Peuronen, A.; Damlin, P.; Tyystjärvi, V; Kivelä, H; Lehtonen, A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 37 |
| Pages of publication | 14022 - 14028 |
| a | 12.5241 ± 0.0004 Å |
| b | 14.3021 ± 0.0004 Å |
| c | 19.6163 ± 0.001 Å |
| α | 90° |
| β | 100.67 ± 0.004° |
| γ | 90° |
| Cell volume | 3452.9 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7031853.cif |
| 180024 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/18. |
7031853.cif |
| 123490 | 2014-09-08 | cif/ Updating files of 7031852, 7031853, 7031854, 7031855 Original log message: Adding full bibliography for 7031852--7031855.cif. |
7031853.cif |
| 120988 | 2014-07-31 | cif/ Adding structures of 7031852, 7031853, 7031854, 7031855 via cif-deposit CGI script. |
7031853.cif |
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